# generated using pymatgen data_Mg(NbSe2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01656080 _cell_length_b 7.01656269 _cell_length_c 13.50274467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000537 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(NbSe2)4 _chemical_formula_sum 'Mg2 Nb8 Se16' _cell_volume 575.70680950 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb3 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb4 1 0.51131522 0.02263043 0.25000000 1.0 Nb Nb5 1 0.48868478 0.97736957 0.75000000 1.0 Nb Nb6 1 0.97736957 0.48868478 0.25000000 1.0 Nb Nb7 1 0.02263043 0.51131522 0.75000000 1.0 Nb Nb8 1 0.51131522 0.48868478 0.25000000 1.0 Nb Nb9 1 0.48868478 0.51131522 0.75000000 1.0 Se Se10 1 0.33333300 0.66666700 0.62030074 1.0 Se Se11 1 0.66666700 0.33333300 0.37969926 1.0 Se Se12 1 0.66666700 0.33333300 0.12030074 1.0 Se Se13 1 0.33333300 0.66666700 0.87969926 1.0 Se Se14 1 0.16906736 0.33813572 0.12866605 1.0 Se Se15 1 0.83093264 0.66186428 0.87133395 1.0 Se Se16 1 0.66186428 0.83093264 0.12866605 1.0 Se Se17 1 0.83093264 0.66186428 0.62866605 1.0 Se Se18 1 0.33813572 0.16906736 0.87133395 1.0 Se Se19 1 0.16906736 0.33813572 0.37133395 1.0 Se Se20 1 0.16906736 0.83093264 0.12866605 1.0 Se Se21 1 0.33813572 0.16906736 0.62866605 1.0 Se Se22 1 0.83093264 0.16906736 0.87133395 1.0 Se Se23 1 0.66186428 0.83093264 0.37133395 1.0 Se Se24 1 0.83093264 0.16906736 0.62866605 1.0 Se Se25 1 0.16906736 0.83093264 0.37133395 1.0